1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

C15H29N3O2S — CID 81199542

IUPAC1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(S(=O)(=O)CC3CCCNC3)CCC21
InChIInChI=1S/C15H29N3O2S/c1-17-8-3-5-14-11-18(9-6-15(14)17)21(19,20)12-13-4-2-7-16-10-13/h13-16H,2-12H2,1H3
InChIKeyDDCLYRNTBIEROK-UHFFFAOYSA-N
MW315.48 g/mol
LogP0.73
Rot. Bonds3

About 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine

1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 81199542) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID81199542
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
SMILESCN1CCCC2CN(S(=O)(=O)CC3CCCNC3)CCC21
InChIInChI=1S/C15H29N3O2S/c1-17-8-3-5-14-11-18(9-6-15(14)17)21(19,20)12-13-4-2-7-16-10-13/h13-16H,2-12H2,1H3
InChIKeyDDCLYRNTBIEROK-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine with MolForge

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Related Compounds

1-methyl-6-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200204
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200392
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62085436
6-(2-chloroethylsulfonyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81205615
3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 103535343
1-methyl-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81206466
3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 62133046
4-(piperidin-3-ylmethylsulfonyl)-1,4-thiazepane
CID 54972395
[4-(piperidin-3-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81205073
3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
CID 55216931

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine (CID 81199542) is 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is CN1CCCC2CN(S(=O)(=O)CC3CCCNC3)CCC21.
What is the InChIKey of 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is DDCLYRNTBIEROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-17-8-3-5-14-11-18(9-6-15(14)17)21(19,20)12-13-4-2-7-16-10-13/h13-16H,2-12H2,1H3.
What are the key properties of 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine?
1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 315.48 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 81199542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).